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1131614-11-3 | 4-(tert-Butoxy)-3-iodobenzoic acid
CAS No: 1131614-11-3 Catalog No: AG00HCLQ MDL No:
Product Description
Catalog Number:
AG00HCLQ
Chemical Name:
4-(tert-Butoxy)-3-iodobenzoic acid
CAS Number:
1131614-11-3
IUPAC Name:
3-iodo-4-[(2-methylpropan-2-yl)oxy]benzoic acid
InChI:
InChI=1S/C11H13IO3/c1-11(2,3)15-9-5-4-7(10(13)14)6-8(9)12/h4-6H,1-3H3,(H,13,14)
InChI Key:
OFXYHLRNWQZWJF-UHFFFAOYSA-N
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.126g/mol
Monoisotopic Mass:
319.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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